(Z)-2,3-dimethyltetradec-2-enoic acid

C16H30O2 — CID 87282593

IUPAC(Z)-2,3-dimethyltetradec-2-enoic acid
SMILESCCCCCCCCCCC/C(C)=C(/C)C(=O)O
InChIInChI=1S/C16H30O2/c1-4-5-6-7-8-9-10-11-12-13-14(2)15(3)16(17)18/h4-13H2,1-3H3,(H,17,18)/b15-14-
InChIKeyFDQFATZEZQENAX-PFONDFGASA-N
MW254.41 g/mol
LogP5.33
Rot. Bonds11

About (Z)-2,3-dimethyltetradec-2-enoic acid

(Z)-2,3-dimethyltetradec-2-enoic acid (PubChem CID 87282593) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is (Z)-2,3-dimethyltetradec-2-enoic acid.

Molecular Properties

Compound Name(Z)-2,3-dimethyltetradec-2-enoic acid
PubChem CID87282593
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name(Z)-2,3-dimethyltetradec-2-enoic acid
SMILESCCCCCCCCCCC/C(C)=C(/C)C(=O)O
InChIInChI=1S/C16H30O2/c1-4-5-6-7-8-9-10-11-12-13-14(2)15(3)16(17)18/h4-13H2,1-3H3,(H,17,18)/b15-14-
InChIKeyFDQFATZEZQENAX-PFONDFGASA-N
XLogP5.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.41
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyldec-2-enoic acid
CID 79729162
9,10,11,12-tetramethyloctadeca-9,11-dienoic acid
CID 76806265
8,9,10,11,12,13-hexamethyloctadeca-8,10,12-trienoic acid
CID 76806274
(Z)-2-methyl-3-undecylbut-2-enedioic acid
CID 142696116
(E)-3-fluoro-2-methylundec-2-enoic acid
CID 87728634
(Z)-3-ethyl-2-methylhenicos-2-enoic acid
CID 87705317
8,9-dimethylhexadec-8-ene
CID 140717938
methyl 2,3-dimethyltetradec-2-enoate
CID 175495328
2-butan-2-ylideneoctanoic acid
CID 173391437
3-amino-2-methyloct-2-enoic acid
CID 173494416
3,4-dimethyltetradec-3-enoic acid
CID 141356263
3-(8-fluorooctyl)-2-methyloctadec-2-enoic acid
CID 173390355

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-dimethyltetradec-2-enoic acid?
The IUPAC name of (Z)-2,3-dimethyltetradec-2-enoic acid (CID 87282593) is (Z)-2,3-dimethyltetradec-2-enoic acid.
What is the SMILES notation for (Z)-2,3-dimethyltetradec-2-enoic acid?
The canonical SMILES for (Z)-2,3-dimethyltetradec-2-enoic acid is CCCCCCCCCCC/C(C)=C(/C)C(=O)O.
What is the InChIKey of (Z)-2,3-dimethyltetradec-2-enoic acid?
The InChIKey is FDQFATZEZQENAX-PFONDFGASA-N. The full InChI is InChI=1S/C16H30O2/c1-4-5-6-7-8-9-10-11-12-13-14(2)15(3)16(17)18/h4-13H2,1-3H3,(H,17,18)/b15-14-.
What are the key properties of (Z)-2,3-dimethyltetradec-2-enoic acid?
(Z)-2,3-dimethyltetradec-2-enoic acid has a molecular weight of 254.41 g/mol, XLogP of 5.33, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-dimethyltetradec-2-enoic acid is sourced from PubChem (CID 87282593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).